Basic information
- CAS
67400-54-8- Standard SMILES
Cc1cccc(OCC2=NCCN2)c1C- InChIKey
WAAAGQHQBWTGTM-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626314
Names & identifiers
- Preferred name
- 2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole
- IUPAC
- 2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole
- English name
- 4,5-dihydro-2-[(2,3-dimethylphenoxy)methyl]-1H-imidazole
- Molecular formula
- C12H16N2O
- Molecular weight
- 204.27
Names & synonyms
67400-54-8EINECS 266-680-84,5-Dihydro-2-((2,3-dimethylphenoxy)methyl)-1H-imidazole2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazoleSCHEMBL546268DTXSID00986678NS000534802-(2,3-dimethylphenoxymethyl)-2-imidazoline4,5-dihydro-2-[(2,3-dimethylphenoxy)methyl]-1H-imidazole1H-Imidazole, 2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydro-
Database identifiers
- CAS
67400-54-8- PubChem CID
- 49835
- DTXSID
DTXSID00986678- EC Number
- 266-680-8
- Nikkaji
- J310.244K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 394.3 · 394.3±30.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 9.88 · 9.88±0.40(Predicted)
Related reactions
12 records
Compound notes
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